2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride
TL;DR: 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride (CAS 174198-14-2) is a chemical compound with molecular formula C20H36Cl2N2O2S and molecular weight 438.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(9-morpholin-4-yl-13-thiabicyclo[8.2.1]tridec-5-en-2-yl)morpholine;dihydrochloride
Also Known As: 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride
| Molecular Formula | C20H36Cl2N2O2S |
|---|---|
| Molecular Weight | 438.19 g/mol |
| LogP | 3.626 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.18747 |
| Heavy Atoms | 27 |
| Complexity | 407.69766 |
Chemical Identifiers
| CAS Number | 174198-14-2 |
|---|---|
| SMILES | C1CC(C2CCC(S2)C(CCC=C1)N3CCOCC3)N4CCOCC4.Cl.Cl |
Product Overview
2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride (CAS 174198-14-2), with molecular formula C20H36Cl2N2O2S and molecular weight 438.19 g/mol. IUPAC: 4-(9-morpholin-4-yl-13-thiabicyclo[8.2.1]tridec-5-en-2-yl)morpholine;dihydrochloride.
Chemical Property Profile of 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride
Property Insights of 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride
The XLogP value of 3.626 indicates that 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.94 Ų, 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride?
The CAS number of 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride is 174198-14-2.
What is the molecular formula of 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride?
The molecular formula of 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride is C20H36Cl2N2O2S.
What is the molecular weight of 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride?
The molecular weight of 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride is 438.19 g/mol.
Where can I buy 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride?
You can request a quote for 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,9-Dimorpholino-13-thiabicyclo(8.2.1)tridec-5-ene dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.